CID 54593470

Methyl 5-(chlorosulfonyl)furan-3-carboxylate

Structural Information

Molecular Formula

C₆H₅ClO₅S

SMILES

COC(=O)C1=COC(=C1)S(=O)(=O)Cl

InChI

InChI=1S/C6H5ClO5S/c1-11-6(8)4-2-5(12-3-4)13(7,9)10/h2-3H,1H3

InChIKey

AUAUIWGJONUSDU-UHFFFAOYSA-N

Compound name

methyl 5-chlorosulfonylfuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 223.95462 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.96190	143.4
[M+Na]+	246.94384	153.7
[M+NH4]+	241.98844	150.0
[M+K]+	262.91778	150.5
[M-H]-	222.94734	143.2
[M+Na-2H]-	244.92929	146.1
[M]+	223.95407	145.3
[M]-	223.95517	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe